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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50396484   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucose-6-phosphate dehydrogenase


(Plasmodium falciparum)
BDBM50396484
PNG
(CHEMBL2170931)
Show SMILES Clc1cccc(\C=C2/Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C23H24ClN3O2S/c24-18-6-3-5-16(13-18)14-21-23(29)26-19-15-17(7-8-20(19)30-21)22(28)25-9-4-12-27-10-1-2-11-27/h3,5-8,13-15H,1-2,4,9-12H2,(H,25,28)(H,26,29)/b21-14-
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.79E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)


Article DOI: 10.1021/jm300833h
BindingDB Entry DOI: 10.7270/Q25T3MM3
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase


(Plasmodium falciparum)
BDBM50396484
PNG
(CHEMBL2170931)
Show SMILES Clc1cccc(\C=C2/Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C23H24ClN3O2S/c24-18-6-3-5-16(13-18)14-21-23(29)26-19-15-17(7-8-20(19)30-21)22(28)25-9-4-12-27-10-1-2-11-27/h3,5-8,13-15H,1-2,4,9-12H2,(H,25,28)(H,26,29)/b21-14-
UniProtKB/TrEMBL

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PubMed
n/an/a 3.42E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)


Article DOI: 10.1021/jm300833h
BindingDB Entry DOI: 10.7270/Q25T3MM3
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Homo sapiens (Human))
BDBM50396484
PNG
(CHEMBL2170931)
Show SMILES Clc1cccc(\C=C2/Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C23H24ClN3O2S/c24-18-6-3-5-16(13-18)14-21-23(29)26-19-15-17(7-8-20(19)30-21)22(28)25-9-4-12-27-10-1-2-11-27/h3,5-8,13-15H,1-2,4,9-12H2,(H,25,28)(H,26,29)/b21-14-
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human glucose-6-phosphate dehydrogenase after 90 mins by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)


Article DOI: 10.1021/jm300833h
BindingDB Entry DOI: 10.7270/Q25T3MM3
More data for this
Ligand-Target Pair